2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C11H14F3N7 — CID 80775117

IUPAC2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)CC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H14F3N7/c1-3-15-8-17-9(20(2)7-11(12,13)14)19-10(18-8)21-6-4-5-16-21/h4-6H,3,7H2,1-2H3,(H,15,17,18,19)
InChIKeyYKXGGGCFAXGUTB-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.49
Rot. Bonds5

About 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80775117) has the molecular formula C11H14F3N7 and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80775117
Molecular FormulaC11H14F3N7
Molecular Weight301.28 g/mol
Exact Mass301.13
IUPAC Name2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)CC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C11H14F3N7/c1-3-15-8-17-9(20(2)7-11(12,13)14)19-10(18-8)21-6-4-5-16-21/h4-6H,3,7H2,1-2H3,(H,15,17,18,19)
InChIKeyYKXGGGCFAXGUTB-UHFFFAOYSA-N
XLogP1.49
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80775117) is 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(N(C)CC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YKXGGGCFAXGUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7/c1-3-15-8-17-9(20(2)7-11(12,13)14)19-10(18-8)21-6-4-5-16-21/h4-6H,3,7H2,1-2H3,(H,15,17,18,19).
What are the key properties of 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 301.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-6-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80775117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).